1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C16H17F3O2 — CID 114723920

IUPAC1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCc1ccc2oc(C3(O)CCCC(C(F)(F)F)C3)cc2c1
InChIInChI=1S/C16H17F3O2/c1-10-4-5-13-11(7-10)8-14(21-13)15(20)6-2-3-12(9-15)16(17,18)19/h4-5,7-8,12,20H,2-3,6,9H2,1H3
InChIKeyDFQCILCGSMLXTI-UHFFFAOYSA-N
MW298.30 g/mol
LogP4.68
Rot. Bonds1

About 1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 114723920) has the molecular formula C16H17F3O2 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID114723920
Molecular FormulaC16H17F3O2
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCc1ccc2oc(C3(O)CCCC(C(F)(F)F)C3)cc2c1
InChIInChI=1S/C16H17F3O2/c1-10-4-5-13-11(7-10)8-14(21-13)15(20)6-2-3-12(9-15)16(17,18)19/h4-5,7-8,12,20H,2-3,6,9H2,1H3
InChIKeyDFQCILCGSMLXTI-UHFFFAOYSA-N
XLogP4.68
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 106874108
1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723916
3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114724378
4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol
CID 114723986
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol
CID 79332367
1-(3-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759467
(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 107192952
1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759665
1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114795009
1-(5-chloro-1-benzofuran-2-yl)-4,4-dimethylcycloheptan-1-ol
CID 114723992
1-(5-bromo-2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79743510

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 114723920) is 1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is Cc1ccc2oc(C3(O)CCCC(C(F)(F)F)C3)cc2c1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is DFQCILCGSMLXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O2/c1-10-4-5-13-11(7-10)8-14(21-13)15(20)6-2-3-12(9-15)16(17,18)19/h4-5,7-8,12,20H,2-3,6,9H2,1H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 298.30 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 114723920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).